#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1faf n ASP 2 N 0.00 0.00 -3.84 7.83 2.03 -1.26 -4.99 116.55 116.32 1faf n ASP 2 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1faf n ASP 2 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1faf n ASP 2 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1faf n ARG 3 N -1.17 3.85 -4.42 -0.67 1.74 -1.26 -4.93 116.66 109.79 1faf n ARG 3 Ca 0.00 -3.67 -0.26 0.00 -0.77 0.00 0.00 57.85 53.15 1faf n ARG 3 Cb 0.00 -2.84 -0.17 0.00 -1.02 0.00 0.00 32.46 28.44 1faf n ARG 3 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1faf s VAL 4 N -0.25 1.20 0.10 1.55 -7.23 -1.26 -4.87 120.40 109.62 1faf s VAL 4 Ca 0.40 -0.48 -0.16 0.00 -1.81 0.00 0.00 61.98 59.92 1faf s VAL 4 Cb 0.10 -1.11 -0.07 0.00 0.56 0.00 0.00 36.38 35.86 1faf s VAL 4 CO 0.01 0.38 0.54 -1.48 -0.31 0.00 0.00 175.10 174.23 1faf s LEU 5 N 0.94 4.44 0.00 1.32 2.34 -1.26 -5.09 118.68 121.37 1faf s LEU 5 Ca -0.09 1.14 -0.07 0.00 0.06 0.00 0.00 54.13 55.17 1faf s LEU 5 Cb -0.15 -3.02 0.12 0.00 -0.56 0.00 0.00 46.19 42.58 1faf s LEU 5 CO 0.00 0.20 0.77 -1.54 -1.06 0.00 0.00 176.35 174.73 1faf n SER 6 N 1.32 0.33 -0.19 1.48 3.41 -1.26 -4.81 113.62 113.89 1faf n SER 6 Ca -0.09 -1.44 0.06 0.00 -0.26 0.00 0.00 58.87 57.14 1faf n SER 6 Cb 0.51 -0.56 0.33 0.00 -0.26 0.00 0.00 64.21 64.23 1faf n SER 6 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1faf h ARG 7 N 0.00 0.78 -0.58 4.33 0.11 -1.99 -1.77 114.38 115.26 1faf h ARG 7 Ca -0.25 -0.05 -0.06 0.00 0.10 0.00 0.00 59.98 59.72 1faf h ARG 7 Cb 0.75 -0.18 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 1faf h ARG 7 CO 0.20 0.52 0.13 0.00 0.10 0.00 0.00 179.97 180.91 1faf h ALA 8 N 1.59 0.76 0.92 0.08 0.00 -1.96 0.18 119.26 120.84 1faf h ALA 8 Ca 0.32 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1faf h ALA 8 Cb 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.79 1faf h ALA 8 CO -0.10 0.48 -0.48 -0.44 0.00 0.00 0.00 179.25 178.71 1faf h ASP 9 N 0.83 -1.15 -0.56 0.00 5.19 -1.68 0.61 116.42 119.66 1faf h ASP 9 Ca 0.18 0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1faf h ASP 9 Cb 0.37 0.31 -0.03 0.00 0.18 0.00 0.00 39.33 40.16 1faf h ASP 9 CO 0.00 -0.78 0.35 0.07 -3.12 0.00 0.00 179.24 175.76 1faf h LYS 10 N -1.28 0.76 0.00 3.56 5.09 -1.46 0.68 116.57 123.91 1faf h LYS 10 Ca -0.13 -0.06 -0.03 0.00 0.09 0.00 0.00 60.65 60.52 1faf h LYS 10 Cb 1.00 -0.16 -0.00 0.00 0.10 0.00 0.00 32.23 33.16 1faf h LYS 10 CO 0.19 0.53 -0.16 0.93 -2.09 0.00 0.00 179.45 178.85 1faf h GLU 11 N 0.76 0.00 0.00 0.07 4.39 -0.54 -1.66 114.58 117.60 1faf h GLU 11 Ca 0.20 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.71 1faf h GLU 11 Cb -0.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 1faf h GLU 11 CO -0.04 0.16 -1.17 -0.09 -1.16 0.00 0.00 179.01 176.71 1faf h ARG 12 N 0.00 0.00 -0.01 2.33 9.65 0.14 -3.16 114.38 123.33 1faf h ARG 12 Ca -0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1faf h ARG 12 Cb 0.32 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1faf h ARG 12 CO 0.02 0.58 -0.40 1.25 2.80 0.00 0.00 179.97 184.22 1faf h LEU 13 N 0.00 0.02 0.03 3.80 5.85 0.12 -2.88 115.31 122.25 1faf h LEU 13 Ca -0.12 -0.01 -0.27 0.00 0.84 0.00 0.00 57.88 58.32 1faf h LEU 13 Cb 1.70 -0.01 0.02 0.00 0.37 0.00 0.00 40.66 42.74 1faf h LEU 13 CO 0.08 0.42 -1.15 -0.07 -0.34 0.00 0.00 178.44 177.39 1faf h LEU 14 N 0.02 0.66 -1.34 2.25 3.38 -1.44 -2.50 115.31 116.34 1faf h LEU 14 Ca -0.00 -0.61 0.01 0.00 0.09 0.00 0.00 57.88 57.38 1faf h LEU 14 Cb 0.72 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1faf h LEU 14 CO 0.05 1.43 0.45 -0.33 0.09 0.00 0.00 178.44 180.14 1faf h GLU 15 N 0.21 0.88 0.00 1.13 5.08 -1.47 -1.25 114.58 119.16 1faf h GLU 15 Ca -0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1faf h GLU 15 Cb 1.82 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.88 1faf h GLU 15 CO 0.21 0.58 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.27 1faf h LEU 16 N 0.90 0.00 -0.93 1.33 4.07 -1.55 -3.26 115.31 115.87 1faf h LEU 16 Ca 0.26 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1faf h LEU 16 Cb -0.06 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1faf h LEU 16 CO -0.06 0.00 -0.03 0.18 -1.08 0.00 0.00 178.44 177.45 1faf n LEU 17 N -2.89 1.47 -1.43 1.67 4.32 -0.59 -4.84 117.00 114.72 1faf n LEU 17 Ca 0.02 -0.48 -0.14 0.00 -0.02 0.00 0.00 56.01 55.39 1faf n LEU 17 Cb 0.54 -0.01 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1faf n LEU 17 CO 0.37 0.25 -0.13 0.29 -1.22 0.00 0.00 177.39 176.94 1faf n LYS 18 N 0.10 -1.33 -3.80 3.23 4.01 -0.58 -4.71 118.16 115.09 1faf n LYS 18 Ca 0.18 0.79 -0.37 0.00 -0.51 0.00 0.00 58.31 58.40 1faf n LYS 18 Cb 0.36 -5.06 -0.13 0.00 -0.51 0.00 0.00 35.03 29.69 1faf n LYS 18 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1faf s LEU 19 N -3.86 4.04 1.06 -0.35 0.20 -1.10 -5.07 118.68 113.59 1faf s LEU 19 Ca 0.00 -1.04 -0.21 0.00 0.69 0.00 0.00 54.13 53.57 1faf s LEU 19 Cb 0.00 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.92 1faf s LEU 19 CO 0.00 -0.27 -0.50 -2.65 -0.29 0.00 0.00 176.35 172.64 1faf n PRO 20 N 4.78 -0.87 0.00 0.98 -0.02 -1.26 -4.65 135.00 133.96 1faf n PRO 20 Ca -0.13 -0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.23 1faf n PRO 20 Cb 0.45 -1.45 0.30 0.00 -0.02 0.00 0.00 33.50 32.78 1faf n PRO 20 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1faf n ARG 21 N -0.30 0.43 0.08 -0.52 3.00 -1.26 -4.04 116.66 114.05 1faf n ARG 21 Ca 0.00 -0.26 -0.11 0.00 -0.01 0.00 0.00 57.85 57.48 1faf n ARG 21 Cb 0.65 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.59 1faf n ARG 21 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1faf h GLN 22 N 0.63 0.27 -0.64 5.56 4.15 -2.05 -3.16 115.11 119.86 1faf h GLN 22 Ca 0.00 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1faf h GLN 22 Cb 0.51 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.29 1faf h GLN 22 CO 0.00 1.02 0.00 1.47 -1.93 0.00 0.00 178.83 179.39 1faf n LEU 23 N -3.67 3.88 -4.53 -2.39 -0.00 -1.26 -4.93 117.00 104.11 1faf n LEU 23 Ca -0.05 -1.95 -0.32 0.00 -0.00 0.00 0.00 56.01 53.69 1faf n LEU 23 Cb 0.83 -0.49 -0.09 0.00 -0.00 0.00 0.00 43.42 43.67 1faf n LEU 23 CO 0.49 0.79 1.96 1.87 -0.00 0.00 0.00 177.39 182.50 1faf n TRP 24 N 1.16 0.97 0.00 1.47 -0.00 -1.20 -2.30 117.44 117.55 1faf n TRP 24 Ca 0.22 0.16 0.00 0.00 -0.00 0.00 0.00 57.50 57.88 1faf n TRP 24 Cb 0.68 -2.32 0.00 0.00 -0.00 0.00 0.00 31.31 29.68 1faf n TRP 24 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1faf n GLY 25 N 6.23 0.52 3.55 5.87 0.00 -1.26 -5.08 105.19 115.02 1faf n GLY 25 Ca 0.51 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1faf n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1faf s ASP 26 N 0.00 6.52 0.41 1.61 -1.08 -0.97 -4.84 116.67 118.32 1faf s ASP 26 Ca 0.00 -1.51 0.21 0.00 -0.52 0.00 0.00 52.55 50.73 1faf s ASP 26 Cb 0.00 -2.56 1.18 0.00 -1.46 0.00 0.00 42.92 40.08 1faf s ASP 26 CO 0.00 -1.48 1.76 0.15 0.52 0.00 0.00 175.17 176.12 1faf h PHE 27 N 9.68 0.59 -0.67 -5.34 3.57 -1.98 0.61 116.94 123.39 1faf h PHE 27 Ca 0.20 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1faf h PHE 27 Cb 1.01 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1faf h PHE 27 CO 1.28 0.03 0.21 0.78 -2.23 0.00 0.00 178.31 178.38 1faf h GLY 28 N 0.33 1.13 1.39 2.40 0.00 -1.99 0.06 103.07 106.38 1faf h GLY 28 Ca 0.61 -0.67 -0.25 0.00 0.00 0.00 0.00 47.33 47.03 1faf h GLY 28 CO -0.29 0.62 -1.02 3.21 0.00 0.00 0.00 176.54 179.07 1faf h ARG 29 N 0.98 0.54 -0.16 4.80 2.47 -1.32 -2.51 114.38 119.18 1faf h ARG 29 Ca 0.22 -0.61 -0.21 0.00 -1.26 0.00 0.00 59.98 58.12 1faf h ARG 29 Cb 0.30 0.18 0.01 0.00 -1.65 0.00 0.00 29.97 28.80 1faf h ARG 29 CO -0.01 1.23 -0.74 0.00 0.56 0.00 0.00 179.97 181.01 1faf h MET 30 N 0.30 0.79 -0.42 0.04 -0.00 -1.30 -2.10 114.93 112.23 1faf h MET 30 Ca -0.11 -0.63 -0.09 0.00 -0.00 0.00 0.00 59.70 58.87 1faf h MET 30 Cb 1.67 0.13 -0.02 0.00 -0.00 0.00 0.00 31.60 33.38 1faf h MET 30 CO 0.19 1.24 -0.11 0.37 -0.00 0.00 0.00 176.91 178.60 1faf h GLN 31 N 0.52 0.76 -0.39 -0.10 4.15 -1.07 0.27 115.11 119.25 1faf h GLN 31 Ca -0.05 -0.25 -0.09 0.00 0.77 0.00 0.00 58.65 59.04 1faf h GLN 31 Cb 1.37 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1faf h GLN 31 CO 0.15 0.84 -0.12 0.37 -1.93 0.00 0.00 178.83 178.14 1faf h GLN 32 N 0.69 0.69 0.01 1.69 5.75 -1.42 -2.32 115.11 120.19 1faf h GLN 32 Ca 0.12 -0.22 -0.19 0.00 -0.15 0.00 0.00 58.65 58.20 1faf h GLN 32 Cb 0.58 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1faf h GLN 32 CO 0.04 0.79 -0.88 0.00 -2.65 0.00 0.00 178.83 176.12 1faf h ALA 33 N 1.24 0.54 -0.44 3.38 0.00 -0.92 -2.70 119.26 120.36 1faf h ALA 33 Ca 0.11 -0.75 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1faf h ALA 33 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1faf h ALA 33 CO 0.04 0.98 0.24 -0.92 0.00 0.00 0.00 179.25 179.58 1faf h TYR 34 N 0.06 0.61 -0.37 0.00 5.03 -0.09 0.17 116.97 122.38 1faf h TYR 34 Ca -0.03 -0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.14 1faf h TYR 34 Cb 1.52 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.60 1faf h TYR 34 CO 0.02 0.47 -0.22 -0.22 -1.32 0.00 0.00 178.16 176.88 1faf h LYS 35 N 0.57 0.80 -0.17 1.82 3.64 -1.46 0.53 116.57 122.30 1faf h LYS 35 Ca 0.15 -0.37 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 1faf h LYS 35 Cb 0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1faf h LYS 35 CO -0.02 1.00 -0.09 0.37 -2.27 0.00 0.00 179.45 178.43 1faf h GLN 36 N 0.59 0.26 0.00 1.90 5.75 -1.24 -2.16 115.11 120.21 1faf h GLN 36 Ca 0.08 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.49 1faf h GLN 36 Cb 0.78 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.29 1faf h GLN 36 CO 0.06 0.37 -1.08 1.96 -2.65 0.00 0.00 178.83 177.49 1faf h GLN 37 N 0.25 0.00 -0.28 1.69 1.08 -0.47 -3.34 115.11 114.04 1faf h GLN 37 Ca 0.05 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.11 1faf h GLN 37 Cb 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1faf h GLN 37 CO 0.02 0.06 -0.42 0.77 -0.95 0.00 0.00 178.83 178.30 1faf h SER 38 N 0.00 0.73 0.03 1.46 0.02 0.67 -2.69 113.55 113.77 1faf h SER 38 Ca -0.03 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1faf h SER 38 Cb 1.11 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1faf h SER 38 CO 0.01 1.05 -0.02 -0.07 -1.14 0.00 0.00 176.83 176.66 1faf h LEU 39 N 0.55 -0.04 -2.28 5.07 3.38 -1.54 -1.80 115.31 118.65 1faf h LEU 39 Ca 0.04 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1faf h LEU 39 Cb 0.95 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1faf h LEU 39 CO 0.09 0.04 -0.02 0.17 0.09 0.00 0.00 178.44 178.81 1faf h LEU 40 N -0.11 0.00 -2.10 1.67 8.10 -1.68 -0.82 115.31 120.36 1faf h LEU 40 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1faf h LEU 40 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.32 1faf h LEU 40 CO 0.01 0.02 0.00 0.18 -4.11 0.00 0.00 178.44 174.53 1faf n LEU 41 N -3.17 3.07 -4.73 0.17 4.77 -0.77 -4.07 117.00 112.28 1faf n LEU 41 Ca -0.02 -1.50 -0.40 0.00 -0.03 0.00 0.00 56.01 54.06 1faf n LEU 41 Cb 0.18 -0.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 1faf n LEU 41 CO 0.24 0.75 0.45 -2.28 -1.33 0.00 0.00 177.39 175.22 1faf s HIS 42 N -1.29 3.64 0.31 -1.77 2.46 -0.31 -4.56 115.29 113.78 1faf s HIS 42 Ca 0.39 1.37 0.08 0.00 0.47 0.00 0.00 55.06 57.37 1faf s HIS 42 Cb 0.20 -2.84 0.43 0.00 -0.13 0.00 0.00 32.58 30.25 1faf s HIS 42 CO 0.27 0.14 1.11 -1.35 -2.47 0.00 0.00 174.74 172.45 1faf h PRO 43 N 6.38 0.00 0.00 2.88 0.11 -1.88 0.85 132.00 140.34 1faf h PRO 43 Ca -0.42 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.42 1faf h PRO 43 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1faf h PRO 43 CO 0.74 0.00 -1.78 -0.25 -0.21 0.00 0.00 178.00 176.49 1faf n ASP 44 N -2.10 0.67 -2.10 -2.05 8.00 -1.26 -4.10 116.55 113.62 1faf n ASP 44 Ca -0.01 0.31 -0.19 0.00 0.71 0.00 0.00 54.79 55.62 1faf n ASP 44 Cb 0.60 0.26 0.19 0.00 -0.02 0.00 0.00 41.12 42.14 1faf n ASP 44 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1faf n LYS 45 N -2.93 2.39 -2.74 -1.24 4.76 0.29 -4.96 118.16 113.74 1faf n LYS 45 Ca -0.18 -2.79 -0.01 0.00 -2.87 0.00 0.00 58.31 52.47 1faf n LYS 45 Cb 1.01 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 32.10 1faf n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1faf n GLY 46 N -0.86 -4.09 3.49 0.72 0.00 -1.13 -4.76 105.19 98.56 1faf n GLY 46 Ca 0.52 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.96 1faf n GLY 46 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1faf s GLY 47 N -1.69 0.03 0.31 -0.02 0.00 -1.24 -4.73 107.32 99.97 1faf s GLY 47 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 1faf s GLY 47 CO 0.78 -0.38 0.67 -0.56 0.00 0.00 0.00 173.10 173.61 1faf s SER 48 N -2.89 6.64 0.06 1.64 0.01 -1.26 -4.66 113.70 113.24 1faf s SER 48 Ca 0.11 1.09 -0.07 0.00 1.31 0.00 0.00 55.95 58.39 1faf s SER 48 Cb -0.00 -2.30 -0.30 0.00 0.21 0.00 0.00 66.02 63.63 1faf s SER 48 CO -0.02 -0.21 1.11 -0.74 0.41 0.00 0.00 173.24 173.78 1faf h HIS 49 N 2.04 0.60 0.00 2.43 2.76 -2.00 -2.91 115.15 118.07 1faf h HIS 49 Ca -0.47 -0.44 -0.01 0.00 -2.20 0.00 0.00 60.37 57.25 1faf h HIS 49 Cb 1.18 -0.02 -0.00 0.00 1.55 0.00 0.00 27.41 30.11 1faf h HIS 49 CO 0.61 1.34 -0.06 0.00 -1.30 0.00 0.00 177.93 178.52 1faf h ALA 50 N 0.49 1.08 0.01 5.26 0.00 -1.99 -2.22 119.26 121.89 1faf h ALA 50 Ca -0.16 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 1faf h ALA 50 Cb 2.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1faf h ALA 50 CO 0.22 0.08 -0.84 -0.07 0.00 0.00 0.00 179.25 178.64 1faf h LEU 51 N 0.00 0.04 -1.90 0.00 4.07 -1.96 -2.82 115.31 112.75 1faf h LEU 51 Ca -0.00 -0.71 0.08 0.00 0.08 0.00 0.00 57.88 57.32 1faf h LEU 51 Cb 0.39 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.10 1faf h LEU 51 CO 0.01 1.34 0.24 -0.03 -1.08 0.00 0.00 178.44 178.91 1faf h MET 52 N -0.93 0.12 0.18 1.13 4.05 -1.43 0.19 114.93 118.24 1faf h MET 52 Ca -0.22 -0.01 -0.33 0.00 -0.28 0.00 0.00 59.70 58.86 1faf h MET 52 Cb 1.25 -0.03 0.01 0.00 -0.80 0.00 0.00 31.60 32.03 1faf h MET 52 CO -0.11 0.08 -1.56 -0.56 0.23 0.00 0.00 176.91 174.99 1faf h GLN 53 N 0.12 0.38 -0.43 0.39 -0.00 -1.54 -3.01 115.11 111.02 1faf h GLN 53 Ca 0.16 -0.64 -0.07 0.00 -0.00 0.00 0.00 58.65 58.10 1faf h GLN 53 Cb 0.47 0.24 -0.02 0.00 -0.00 0.00 0.00 27.48 28.17 1faf h GLN 53 CO -0.02 1.28 -0.00 0.93 -0.00 0.00 0.00 178.83 181.02 1faf h GLU 54 N 0.10 0.70 -0.18 0.06 4.39 -1.08 -1.25 114.58 117.32 1faf h GLU 54 Ca -0.27 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.21 1faf h GLU 54 Cb 2.08 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1faf h GLU 54 CO 0.20 0.72 -0.06 1.25 -1.16 0.00 0.00 179.01 179.96 1faf h LEU 55 N 0.66 0.36 -0.95 1.33 5.85 -1.09 0.20 115.31 121.67 1faf h LEU 55 Ca 0.13 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1faf h LEU 55 Cb 0.41 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 1faf h LEU 55 CO 0.02 0.66 0.44 0.78 -0.34 0.00 0.00 178.44 180.00 1faf h ASN 56 N 0.05 1.06 0.59 1.25 2.35 -1.37 0.51 115.58 120.02 1faf h ASN 56 Ca 0.04 -0.11 -0.19 0.00 -0.55 0.00 0.00 56.30 55.50 1faf h ASN 56 Cb 0.52 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 1faf h ASN 56 CO 0.02 0.87 -0.84 -1.28 -1.65 0.00 0.00 177.43 174.55 1faf h SER 57 N 1.18 0.22 1.03 5.81 0.87 -1.17 0.64 113.55 122.14 1faf h SER 57 Ca 0.29 -0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.50 1faf h SER 57 Cb 0.06 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1faf h SER 57 CO -0.04 0.96 -0.86 -0.07 -0.53 0.00 0.00 176.83 176.29 1faf h LEU 58 N 0.10 0.00 0.00 2.23 3.38 -0.12 -2.92 115.31 117.98 1faf h LEU 58 Ca -0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 1faf h LEU 58 Cb 1.45 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1faf h LEU 58 CO 0.13 0.86 -1.31 -0.25 0.09 0.00 0.00 178.44 177.96 1faf h TRP 59 N 0.00 0.00 0.31 1.13 2.91 0.01 -3.16 115.95 117.15 1faf h TRP 59 Ca -0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1faf h TRP 59 Cb 1.61 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 30.27 1faf h TRP 59 CO 0.00 0.57 -0.15 0.78 -1.03 0.00 0.00 178.44 178.61 1faf h GLY 60 N 3.68 -0.44 0.11 2.65 0.00 -0.90 0.43 103.07 108.61 1faf h GLY 60 Ca -0.14 0.16 0.10 0.00 0.00 0.00 0.00 47.33 47.45 1faf h GLY 60 CO 0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 176.54 176.36 1faf h THR 61 N -0.74 0.56 -0.47 4.70 1.03 -1.71 0.20 112.91 116.48 1faf h THR 61 Ca -0.04 -0.02 0.08 0.00 -0.01 0.00 0.00 66.41 66.42 1faf h THR 61 Cb 0.32 0.51 -0.10 0.00 -1.07 0.00 0.00 68.15 67.82 1faf h THR 61 CO 0.07 0.01 -0.42 0.15 -0.01 0.00 0.00 175.52 175.32 1faf h PHE 62 N 0.05 -1.21 -0.95 0.00 3.57 -1.60 0.27 116.94 117.07 1faf h PHE 62 Ca 0.24 0.07 0.15 0.00 3.53 0.00 0.00 57.97 61.96 1faf h PHE 62 Cb 0.36 0.60 -0.08 0.00 2.79 0.00 0.00 35.95 39.62 1faf h PHE 62 CO -0.36 -0.43 0.60 0.87 -2.23 0.00 0.00 178.31 176.76 1faf h LYS 63 N -0.28 0.75 -0.96 1.11 1.57 0.26 0.72 116.57 119.74 1faf h LYS 63 Ca 0.16 -0.04 0.24 0.00 -1.87 0.00 0.00 60.65 59.13 1faf h LYS 63 Cb 0.57 -0.17 -0.13 0.00 0.08 0.00 0.00 32.23 32.59 1faf h LYS 63 CO -0.61 0.49 0.51 1.15 -0.57 0.00 0.00 179.45 180.42 1faf h THR 64 N 0.77 0.49 0.00 -0.16 2.02 0.23 0.79 112.91 117.05 1faf h THR 64 Ca 0.49 -0.17 -0.20 0.00 0.77 0.00 0.00 66.41 67.30 1faf h THR 64 Cb 0.73 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 1faf h THR 64 CO -0.25 0.09 -1.10 -0.33 0.37 0.00 0.00 175.52 174.30 1faf h GLU 65 N 0.48 0.00 -1.00 6.66 4.39 -0.79 -3.32 114.58 121.00 1faf h GLU 65 Ca 0.62 0.00 0.06 0.00 0.34 0.00 0.00 59.36 60.38 1faf h GLU 65 Cb 1.19 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.78 1faf h GLU 65 CO -0.51 0.68 0.65 0.28 -1.16 0.00 0.00 179.01 178.95 1faf h VAL 66 N 0.00 1.10 -0.05 3.13 2.07 0.24 0.97 116.25 123.69 1faf h VAL 66 Ca -0.09 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1faf h VAL 66 Cb 1.71 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1faf h VAL 66 CO 0.09 0.22 -0.24 0.22 0.02 0.00 0.00 177.57 177.88 1faf h TYR 67 N 1.18 0.10 0.00 1.57 3.20 -1.17 -2.34 116.97 119.51 1faf h TYR 67 Ca 0.43 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.28 1faf h TYR 67 Cb 0.15 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1faf h TYR 67 CO -0.00 0.33 -0.91 0.09 -1.64 0.00 0.00 178.16 176.03 1faf n ASN 68 N -4.22 0.71 -0.36 -2.11 3.02 -0.04 -4.15 115.26 108.11 1faf n ASN 68 Ca -0.02 0.11 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1faf n ASN 68 Cb 0.32 0.48 0.11 0.00 -0.61 0.00 0.00 39.78 40.08 1faf n ASN 68 CO 0.00 0.00 0.00 0.17 -2.62 0.00 0.00 177.26 174.81 1faf h LEU 69 N 0.00 1.09 -0.05 3.41 8.10 0.14 -0.82 115.31 127.19 1faf h LEU 69 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1faf h LEU 69 Cb 0.84 -0.26 0.00 0.00 -0.44 0.00 0.00 40.66 40.80 1faf h LEU 69 CO 0.00 0.78 0.00 0.54 -4.11 0.00 0.00 178.44 175.65 1faf n ARG 70 N -4.43 1.04 0.02 0.17 1.74 -1.24 -2.91 116.66 111.05 1faf n ARG 70 Ca 0.12 -0.05 0.11 0.00 -0.77 0.00 0.00 57.85 57.25 1faf n ARG 70 Cb 0.04 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 1faf n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1faf n MET 71 N -0.88 0.46 0.00 5.56 2.81 -0.33 -4.12 117.12 120.62 1faf n MET 71 Ca 0.21 -0.07 0.11 0.00 -1.81 0.00 0.00 57.70 56.14 1faf n MET 71 Cb 0.11 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.05 1faf n MET 71 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1faf n ASN 72 N -2.14 1.17 -0.51 7.83 4.13 -1.13 -4.22 115.26 120.39 1faf n ASN 72 Ca -0.01 -1.00 0.01 0.00 1.68 0.00 0.00 54.58 55.26 1faf n ASN 72 Cb 0.50 0.69 0.04 0.00 -1.54 0.00 0.00 39.78 39.46 1faf n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1faf n LEU 73 N -1.08 1.19 0.00 3.41 4.77 -1.23 -4.24 117.00 119.82 1faf n LEU 73 Ca 0.06 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 1faf n LEU 73 Cb 0.37 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1faf n LEU 73 CO 0.37 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 1faf n GLY 74 N 0.20 -0.15 0.00 -0.72 0.00 -1.26 -5.07 105.19 98.19 1faf n GLY 74 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1faf n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1faf n GLY 75 N 2.70 3.37 3.68 -0.02 0.00 -1.26 -5.08 105.19 108.59 1faf n GLY 75 Ca 0.00 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.56 1faf n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1faf s THR 76 N 0.00 4.80 0.00 2.61 -4.23 -1.26 -4.85 115.64 112.71 1faf s THR 76 Ca 0.00 1.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.46 1faf s THR 76 Cb 0.00 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.57 1faf s THR 76 CO 0.00 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1faf n GLY 77 N 3.18 -0.65 3.72 3.99 0.00 -1.26 -5.14 105.19 109.03 1faf n GLY 77 Ca 0.08 0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 1faf n GLY 77 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1faf s PHE 78 N 0.00 3.60 -2.79 1.61 0.40 -1.26 -5.28 117.98 114.26 1faf s PHE 78 Ca 0.00 1.26 0.26 0.00 -0.60 0.00 0.00 56.93 57.85 1faf s PHE 78 Cb 0.00 -2.78 0.55 0.00 0.51 0.00 0.00 43.02 41.30 1faf s PHE 78 CO 0.00 0.13 1.46 1.04 0.70 0.00 0.00 175.22 178.55